ethyl 2-[4-fluoranyl-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[4-fluoranyl-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-fluoro-2-[1-(2-thienylsulfonyl)pyrrolidine-2-carbonyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4-fluoro-2-[oxo-(1-thiophen-2-ylsulfonyl-2-pyrrolidinyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-fluoro-2-(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4-fluoro-2-[1-(2-thienylsulfonyl)prolyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H20FN3O5S3 MolecularWeight: 497.583303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4)F

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4)F

InChI

InChI=1S/C20H20FN3O5S3/c1-2-29-16(25)12-23-18-13(21)6-3-8-15(18)31-20(23)22-19(26)14-7-4-10-24(14)32(27,28)17-9-5-11-30-17/h3,5-6,8-9,11,14H,2,4,7,10,12H2,1H3